2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile

C21H18F3N9O — CID 67455066

IUPAC2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H18F3N9O/c1-30-10-14(8-27-30)16-6-17-26-4-5-32(17)19(29-16)15-9-28-33(11-15)20(2-3-25)12-31(13-20)18(34)7-21(22,23)24/h4-6,8-11H,2,7,12-13H2,1H3
InChIKeyOVGQQZDOEITLBR-UHFFFAOYSA-N
MW469.43 g/mol
LogP2.40
Rot. Bonds5

About 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile

2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile (PubChem CID 67455066) has the molecular formula C21H18F3N9O and a molecular weight of 469.43 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile
PubChem CID67455066
Molecular FormulaC21H18F3N9O
Molecular Weight469.43 g/mol
Exact Mass469.16
IUPAC Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H18F3N9O/c1-30-10-14(8-27-30)16-6-17-26-4-5-32(17)19(29-16)15-9-28-33(11-15)20(2-3-25)12-31(13-20)18(34)7-21(22,23)24/h4-6,8-11H,2,7,12-13H2,1H3
InChIKeyOVGQQZDOEITLBR-UHFFFAOYSA-N
XLogP2.40
TPSA109.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile (CID 67455066) is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)CC(F)(F)F)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile?
The InChIKey is OVGQQZDOEITLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N9O/c1-30-10-14(8-27-30)16-6-17-26-4-5-32(17)19(29-16)15-9-28-33(11-15)20(2-3-25)12-31(13-20)18(34)7-21(22,23)24/h4-6,8-11H,2,7,12-13H2,1H3.
What are the key properties of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile has a molecular weight of 469.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67455066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).